Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(Cl)c(Cl)c1

InChI InChI=1S/C18H13Cl2N3O/c19-16-8-7-15(10-17(16)20)23-18(24)22-14-5-3-12(4-6-14)13-2-1-9-21-11-13/h1-11H,(H2,22,23,24)

InChIKey FUWGAABFLXHHHW-UHFFFAOYSA-N

Molecular Weight

358.23